8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde

C10H8FNO2 — CID 87282836

IUPAC8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=Cc1ccc2c(c1F)NC(=O)CC2
InChIInChI=1S/C10H8FNO2/c11-9-7(5-13)2-1-6-3-4-8(14)12-10(6)9/h1-2,5H,3-4H2,(H,12,14)
InChIKeyRCTAXOWBJCKOJA-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.52
Rot. Bonds1

About 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde

8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde (PubChem CID 87282836) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
PubChem CID87282836
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=Cc1ccc2c(c1F)NC(=O)CC2
InChIInChI=1S/C10H8FNO2/c11-9-7(5-13)2-1-6-3-4-8(14)12-10(6)9/h1-2,5H,3-4H2,(H,12,14)
InChIKeyRCTAXOWBJCKOJA-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The IUPAC name of 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde (CID 87282836) is 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde.
What is the SMILES notation for 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The canonical SMILES for 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde is O=Cc1ccc2c(c1F)NC(=O)CC2.
What is the InChIKey of 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The InChIKey is RCTAXOWBJCKOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-9-7(5-13)2-1-6-3-4-8(14)12-10(6)9/h1-2,5H,3-4H2,(H,12,14).
What are the key properties of 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde has a molecular weight of 193.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde is sourced from PubChem (CID 87282836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).